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Publications

20 resultats trouvés
Auteur Titre [ Type(Desc)] Année
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Journal Article
Adsorption at the Liquid-Liquid Interface in the Biphasic Rhodium Catalyzed Hydroformylation of Olefins Promoted by Cyclodextrins: A Molecular Dynamics Study., Sieffert, Nicolas, and Wipff Georges , J. Phys. Chem. B, Volume 110, Number 9, p.4125–4134, (2006)
Adsorption at the Liquid-Liquid Interface in the Biphasic Rhodium-Catalyzed Hydroformylation of 1-Hexene in Ionic Liquids: A Molecular Dynamics Study., Sieffert, Nicolas, and Wipff Georges , J. Phys. Chem. C, Volume 112, Number 16, p.6450–6461, (2008)
Alkali Cation Extraction by Calix[4]crown-6 to Room-Temperature Ionic Liquids. The Effect of Solvent Anion and Humidity Investigated by Molecular Dynamics Simulations., Sieffert, Nicolas, and Wipff Georges , J. Phys. Chem. A, Volume 110, Number 3, p.1106–1117, (2006)
The [BMI][Tf2N] Ionic Liquid/Water Binary System: A Molecular Dynamics Study of Phase Separation and of the Liquid-Liquid Interface., Sieffert, Nicolas, and Wipff Georges , J. Phys. Chem. B, Volume 110, Number 26, p.13076–13085, (2006)
Comparing an Ionic Liquid to a Molecular Solvent in the Cesium Cation Extraction by a Calixarene: A Molecular Dynamics Study of the Aqueous Interfaces., Sieffert, Nicolas, and Wipff Georges , J. Phys. Chem. B, Volume 110, Number 39, p.19497–19506, (2006)
Density functional study of aqueous uranyl(VI) fluoride complexes., Buehl, Michael, Sieffert Nicolas, and Wipff Georges , Chem. Phys. Lett., Volume 467, Number 4-6, p.287–293, (2009)
Density Functional Theory Study of Uranium(VI) Aquo Chloro Complexes in Aqueous Solution., Buehl, Michael, Sieffert Nicolas, Golubnychiy Volodymyr, and Wipff Georges , J. Phys. Chem. A, Volume 112, Number 11, p.2428–2436, (2008)
The effect of a solvent modifier in the cesium extraction by a calix[4]arene: a molecular dynamics study of the oil phase and the oil-water interface., Sieffert, Nicolas, and Wipff Georges , Phys. Chem. Chem. Phys., Volume 9, Number 28, p.3763–3775, (2007)
Effect of Counterions on the Structure and Stability of Aqueous Uranyl(VI) Complexes. A First-Principles Molecular Dynamics Study., Buhl, Michael, Schreckenbach Georg, Sieffert Nicolas, and Wipff Georges , Inorg. Chem., Volume 48, Number 21, p.9977–9979, (2009)
Importance of interfacial adsorption in the biphasic hydroformylation of higher olefins promoted by cyclodextrins: a molecular dynamics study at the decene/water interface., Sieffert, Nicolas, and Wipff Georges , Chem. - A Eur. J., Volume 13, Number 7, p.1978–1990, S1978/1–S1978/23, (2007)
On the Importance of the Aqueous Interface in the Multiphasic Rhodium Catalyzed Hydroformylation of Propene: a Molecular Dynamics Study., Sieffert, Nicolas, and Wipff Georges , J. Phys. Chem. C, Volume 112, Number 38, p.14891–14901, (2008)
Importance of the Liquid-Liquid Interface in Assisted Ion Extraction: New Molecular Dynamics Studies of Cesium Picrate Extraction by a Calix[4]arene., Sieffert, Nicolas, Chaumont Alain, and Wipff Georges , J. Phys. Chem. C, Volume 113, Number 24, p.10610–10622, (2009)
Ordering of Imidazolium-Based Ionic Liquids at the $\alpha$-Quartz(001) Surface: A Molecular Dynamics Study., Sieffert, Nicolas, and Wipff Georges , J. Phys. Chem. C, Volume 112, Number 49, p.19590–19603, (2008)
Rhodium-Catalyzed Hydroformylation of 1-Hexene in an Ionic Liquid: A Molecular Dynamics Study of the Hexene/[BMI][PF6] Interface., Sieffert, Nicolas, and Wipff Georges , J. Phys. Chem. B, Volume 111, Number 18, p.4951–4962, (2007)
Solvation of Sodium Chloride in the 1-Butyl-3-methyl-imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid: A Molecular Dynamics Study., Sieffert, Nicolas, and Wipff Georges , J. Phys. Chem. B, Volume 111, Number 25, p.7253–7266, (2007)
Speciation of La(III) Chloride Complexes in Water and Acetonitrile: A Density Functional Study., Buhl, Michael, Sieffert Nicolas, Partouche Aurelie, Chaumont Alain, and Wipff Georges , Inorg. Chem., Volume 51, Number 24, p.13396–13407, (2012)
Structure of a uranyl peroxo complex in aqueous solution from first-principles molecular dynamics simulations., Buhl, Michael, Sieffert Nicolas, and Wipff Georges , Dalt. Trans., Volume 43, Number 29, p.11129–11137, (2014)
Uranyl extraction by N,N-dialkylamide ligands studied using static and dynamic DFT simulations., Sieffert, Nicolas, and Wipff Georges , Dalt. Trans., Volume 44, Number 6, p.2623–2638, (2015)
Water versus Acetonitrile Coordination to Uranyl. Density Functional Study of Cooperative Polarization Effects in Solution., Buhl, Michael, Sieffert Nicolas, Chaumont Alain, and Wipff Georges , Inorg. Chem., Volume 50, Number 1, p.299–308, (2011)
Water versus Acetonitrile Coordination to Uranyl. Effect of Chloride Ligands., Buhl, Michael, Sieffert Nicolas, Chaumont Alain, and Wipff Georges , Inorg. Chem., Volume 51, Number 3, p.1943–1952, (2012)